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I.B.1.d.1.

Molecules with C in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
C Carbon atom C+ Carbon atom cation C- Carbon atom anion
CH Methylidyne CH+ Methylidyne cation CH- methylidyne anion
LiC Lithium Carbide
BC boron monocarbide BC+ boron monocarbide cation BC- boron monocarbide anion
C2 Carbon diatomic C2+ carbon diatomic cation C2- carbon diatomic anion
CN Cyano radical CN+ Cyano cation CN- cyanide anion
CO Carbon monoxide CO+ carbon monoxide cation CO- carbon monoxide anion
CF Fluoromethylidyne CF+ carbon monofluoride cation CF- carbon monofluoride anion
SiC silicon monocarbide SiC+ silicon monocarbide cation SiC- silicon monocarbide anion
CP Carbon monophosphide CP+ carbon monophosphide cation CP- carbon monophosphide anion
CS carbon monosulfide CS+ carbon monosulfide cation CS- carbon monosulfide anion
CCl carbon monochloride CCl+ carbon monochloride cation CCl- carbon monochloride anion
GeC Germanium monocarbide
CSe Carbon monoselenide CSe+ Carbon monoselenide cation CSe- Carbon monoselenide anion
CH2 Methylene CH2+ methylene cation CH2- methylene anion
C2H Ethynyl radical C2H+ Ethynyl cation C2H- Ethynyl anion
C3 carbon trimer C3+ carbon trimer cation
HCN Hydrogen cyanide HCN+ hydrogen cyanide cation HCN- Hydrogen cyanide anion
HNC hydrogen isocyanide
NCN NCN
CN2 3H-Diazirin-3-ylidene
HCO Formyl radical HCO+ Formyl cation HCO- formyl anion
CCO Dicarbon monoxide
NCO isocyanato radical    NCO- cyanate
     CNO- fulminate
CO2 Carbon dioxide CO2+ Carbon dioxide cation CO2- Carbon dioxide anion
HCF Fluoromethylene
FCN Cyanogen fluoride
CF2 Difluoromethylene CF2+ Difluoromethylene cation CF2- Difluoromethylene anion
HCP HCP
HCS Thioformyl radical HCS+ Thioformyl cation HCS- Thioformyl anion
OCS Carbonyl sulfide OCS+ Carbonyl sulfide cation
SCN thiocyanato radical    SCN- thiocyanide anion
CS2 Carbon disulfide CS2+ Carbon disulfide cation CS2- Carbon disulfide anion
HCCl Chloromethylene
ClCN chlorocyanogen
CCl2 dichloromethylene CCl2+ dichloromethylene cation CCl2- dichloromethylene anion
ZnCN Zinc monocyanide
OCSe Carbonyl selenide
CHBr bromomethylene
BrCN Cyanogen bromide
CH3 Methyl radical CH3+ methyl cation CH3- methyl anion
C2H2 Acetylene C2H2+ acetylene cation
CCH2 vinylidene
C4 Carbon tetramer C4+ Carbon tetramer cation
H2CN H2CN H2CN+ H2CN+
CNH2 CNH2 CNH2+ CNH2+
HCNH HCNH HCNH+ HCNH+
C2N2 Cyanogen C2N2+ Cyanogen cation
H2CO Formaldehyde H2CO+ formaldehyde cation H2CO- formaldehyde anion
HOCH hydroxycarbene
HCCO ketenyl radical
HNCO Isocyanic acid
HOCN cyanic acid
HCNO fulminic acid
HOCO Hydrocarboxyl radical HOCO+ Hydrocarboxyl cation
HCOO formate neutral radical
     HCO2- formate anion
     CO3-2 carbonate
CH2F fluoromethyl radical
HCCF Fluoroacetylene HCCF+ fluoroacetylene cation
HFCO formyl fluoride
CHF2 difluoromethyl radical
C2F2 difluoroacetylene
CF2O Carbonic difluoride
CF3 Trifluoromethyl radical CF3+ Trifluoromethyl cation CF3- Trifluoromethyl anion
H2CS Thioformaldehyde
HCCCl Chloroacetylene
COHCl Formyl chloride
COFCl Carbonic chloride fluoride
C2Cl2 dichloroacetylene C2Cl2+ dichloroacetylene cation
CCl2O Phosgene
Cl2CS Thiophosgene
CCl3 Trichloromethyl radical CCl3+ Trichloromethyl cation CCl3- Trichloromethyl anion
ZnCH2 Zinc methylene
CH2Cl chloromethyl radical
CH2Br bromomethyl radical
COHBr COHBr
COBr2 Carbonic dibromide
CH4 Methane CH4+ Methane cation
CD4 methane-d4
CH3D methane-d
CH2D2 methane-d2
CHD3 methane-d3
CH3Li methyl lithium
C2H3 vinyl C2H3+ vinyl cation
CH2NH Methanimine
HNCNH diiminomethane
CH2NN diazirine
CH2NN diazomethane
NH2CN cyanamide
HCCCN Cyanoacetylene HCCCN+ Cyanoacetylene cation
CH3O Methoxy radical    CH3O- methoxy anion
CH2OH Hydroxymethyl radical CH2OH+ hydroxymethyl cation
C2H2O Oxirene
CH2CO Ketene CH2CO+ Ketene cation
HCCOH ethynol
HCOOH Formic acid
CH2O2 Dioxirane
     HCO3- bicarbonate anion
C3O2 Carbon suboxide C3O2+ Carbon suboxide cation
CD3F methylfluoride-d3
CH3F Methyl fluoride
CH2F2 Methane, difluoro-
CHF3 Methane, trifluoro-
CF4 Carbon tetrafluoride
CH2PH H2CPH
CH3S thiomethoxy
CH3Cl Methyl chloride
CD3Cl methyl chloride d3
CH2FCl fluorochloromethane
CH2Cl2 Methylene chloride
CHF2Cl difluorochloromethane
CHFCl2 fluorodichloromethane
CF3Cl Methane, chlorotrifluoro-
CHCl3 Chloroform
CF2Cl2 difluorodichloromethane
CDCl3 trichloromethane-d
CFCl3 Trichloromonofluoromethane
CCl4 Carbon tetrachloride
CaCO3 Calcium Carbonate
CuCH3 monomethyl copper
ZnCH3 Zinc monomethyl
CH3Br methyl bromide
CH2ClBr Methane, bromochloro-
CHBrF2 Methane, bromodifluoro-
CF3Br Bromotrifluoromethane
CHBrCl2 Methane, bromodichloro-
CBrClF2 Methane, bromochlorodifluoro-
CH2Br2 dibromomethane
CBrCl3 Methane, bromotrichloro-
CBr2F2 Methane, dibromodifluoro-
CHClBr2 Methane, dibromochloro-
CHBr3 bromoform
CBr4 Carbon tetrabromide
CH3I methyl iodide
CF3I trifluoroiodomethane
C2H4 Ethylene C2H4+ Ethylene cation C2H4- Ethylene anion
CH3CH methylmethylene
C3H3 Propargyl radical C3H3+ Propargyl cation C3H3- Propargyl anion
   C3H3+ cyclopropenyl cation
C4H2 Diacetylene C4H2+ diacetlyene cation
   CH2NH2+ methyleneamine cation
CH3CN Acetonitrile CH3CN+ Acetonitrile cation CH3CN- acetonitrile anion
CH3NC methyl isocyanide
C4N2 2-Butynedinitrile
CH3OH Methyl alcohol CH3OH+ Methyl alcohol cation CH3OH- Methyl alcohol anion
CH3CO Acetyl radical CH3CO+ acetyl cation CH3CO- Acetyl anion
CH2CHO Vinyloxy radical
CHONH2 formamide
HOCHNH hydroxymethylimine
CH3OO methylperoxy radical CH3OO+ methylperoxy cation CH3OO- methylperoxy anion
CH2OOH CH2OOH
C2H2O2 Ethanedial C2H2O2+ Ethanedial cation
H2CO3 Carbonic acid
     C2O4-2 oxalate anion
CH2CHF Ethene, fluoro- CH2CHF+ fluoroethene cation
CH2CF2 Ethene, 1,1-difluoro-
C2H2F2 Ethene, 1,2-difluoro-, (Z)-
C2H2F2 Ethene, 1,2-difluoro-, (E)-
C2HF3 Trifluoroethylene C2HF3+ Trifluoroethylene cation
CF3OH trifluoromethanol
CF3CN Acetonitrile, trifluoro-
C2F4 Tetrafluoroethylene
CF3OF Trifluoromethylhypofluorite
NaOCH3 Sodium methoxide
Na2CO3 Sodium Carbonate
CH2SiH2 silaethylene
CH3SH Methanethiol
CH2CHCl Ethene, chloro-
CH3OCl methyl hypochlorite
CH2CCl2 Ethene, 1,1-dichloro-
CHClCHCl Ethene, 1,2-dichloro-, (Z)-
CHClCHCl Ethene, 1,2-dichloro-, (E)-
CHClCCl2 Trichloroethylene
C2Cl4 Tetrachloroethylene
CH3SeH Methane selenol
C2H3Br vinyl bromide
CHBrCF2 1-Bromo-2,2-difluoroethylene
C2H5 Ethyl radical C2H5+ Ethyl cation
CH3CCH propyne
CH2CCH2 allene
C3H4 cyclopropene
CH3NH2 methyl amine
CH3CHN methylmethaniminyl radical
NHCHNH2 aminomethanimine
C3H3N acrylonitrile C3H3N+ acrylonitrile cation
C3H2N2 Malononitrile
CH2N4 1H-Tetrazole
   CH3OH2+ Methanol, protonated
CH3CHO Acetaldehyde
C2H4O Ethylene oxide
CH2CHOH ethenol
   H2CONH2+ protonated formamide
H2OH2CO water formaldehyde dimer
CH2(OH)2 methanediol
CH3OOH Methyl peroxide
     CH3COO- acetate anion
CH3NO2 Methane, nitro-
CH3ONO Methyl nitrite
   H3CO3+ carbonic acid, protonated
C3H2O2 Propiolic acid
CHOCOOH oxo acetic acid
CH3COF Acetyl fluoride
CF3CHO trifluoroacetaldehyde
CF3COF trifluoroacetyl fluoride
CH3PH2 Methyl phosphine
C2H4S Thiirane
CH3CHS Thioacetaldehyde
CH3COCl Acetyl Chloride
CH2ClCHO chloroacetaldehyde
CHCl2CHO dichloroacetaldehyde
CF3COCl trifluoroacetyl chloride
CCl3CHO trichloroacetaldehyde
C2H6 Ethane C2H6+ ethane cation
C3H5 Allyl radical C3H5+ Allyl cation
CH3CHCH 1-propenyl radical
C2H3CCH 1-Buten-3-yne
C4H4 cyclobutadiene
H2CCCCH2 Butatriene
C6H2 hexatriyne
   CH3NH3+ protonated methylamine
C2H5N Aziridine
CH2CHNH2 aminoethene
CH2NCH3 N-methylmethanimine
CH3CHNH ethanimine
C3H3N2 imidazolyl radical    C3H3N2- imidizolyl anion
C2H3N3 1H-1,2,4-Triazole
C4H2N2 Fumaronitrile
C2H2N4 sym-tetrazine
CH3CH2O Ethoxy radical
CH2CH2OH 2-hydroxy ethyl radical
CH3OCH2 methoxymethyl radical
CH2CHCHO Acrolein
C3H4O 2-Propyn-1-ol
C3H4O Cyclopropanone
C3H4O Methylketene
C3H4O allenol
NH2CONH2 Urea NH2CONH2+ Urea cation
CH3COOH Acetic acid
CH3OCHO methyl formate
CHOCH2OH hydroxy acetaldehyde
C2H4O2 1,3-dioxetane
HCOOHH2O Formic acid water dimer
H2OHCOOH Water formic acid dimer 1
H2OHCOOH Water formic acid dimer 2
HOCH2OOH hydroxy methyl peroxide
C3H3NO Isoxazole
C3H3NO Oxazole
CH3C(O)OO acetyl peroxy radical
CH3NO3 Methyl nitrate
C2H2O4 Oxalic Acid
C2H5F fluoroethane
CH3CHF2 Ethane, 1,1-difluoro-
C2H4F2 1,2-difluoroethane
CH3CF3 Ethane, 1,1,1-trifluoro-
CHF2CHF2 1,1,2,2-tetrafluoroethane
CF3CH2F 1,1,1,2-tetrafluoroethane
CF3COOH trifluoroacetic acid
C4F4 tetrafluorcyclobutadiene
C2F6 hexafluoroethane
CH3SiH3 methyl silane
SiH3CCl3 (trichloromethyl)silane
NH2CSNH2 Thiourea
CH3CH2Cl Ethyl chloride
CH3CHFCl Ethane, 1-chloro-1-fluoro-
CH3CHCl2 Ethane, 1,1-dichloro-
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
CH2ClCH2Cl Ethane, 1,2-dichloro-
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CH3CFCl2 1,1-Dichloro-1-fluoroethane
CH3CCl3 Ethane, 1,1,1-trichloro-
CH2ClCHCl2 1,1,2-trichloroethane
CF3CHFCl 1,1,1,2-tetrafluorochloroethane
SiCl3CH3 methyltrichlorosilane
CF3CF2Cl pentafluorochloroethane
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CF3CFCl2 1,1-Dichlorotetrafluoroethane
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
C2Cl6 hexachloroethane
GeH3CH3 methyl germane
C2H5Br Ethyl bromide
CH2BrCH2Br Ethane, 1,2-dibromo-
CH3CBr3 1,1,1-tribromoethane
   C2H7+ Ethane, protonated
C3H6 Cyclopropane
CH2CHCH3 Propene
NH2CH2NH2 diaminomethane
C2H5CN ethyl cyanide
CH5N3 Guanidine
C4H4N pyrrolide radical    C4H4N- pyrrolide anion
C3H4N2 1H-Pyrazole
C3H4N2 1H-Imidazole
C3H4N2 4H-Imidazole
C3H4N2 2H-Imidazole
C3H3N3 1,3,5-Triazine
CH3N5 5-Aminotetrazole
C(CN)4 tetracyanomethane
CH3CH2OH Ethanol
CH3OCH3 Dimethyl ether
H2OCH3OH water methanol dimer
CH3OHH2O methanol water dimer
CH3CONH2 Acetamide
CH3CHNOH Acetaldoxime
C2H5OO ethylperoxy radical
C4H4O Furan
C3H4O2 β–Propiolactone
C3H4O2 Methyl glyoxal
C3H4O2 2-Propenoic acid
C3H4O2 propanedial
C3H4O2 propenalol
HOCHCCHOH allenediol
HOCH2COOH Hydroxyacetic acid
C2H4O3 trioxolane124
C2H4O3 1,2,3-trioxolane
C2H3NO3 Oxamic acid
C4H2O3 Maleic Anhydride
CH3CH2SH ethanethiol
CH3SCH3 Dimethyl sulfide
C4H4S Thiophene
C3H5Cl 1-Propene, 3-chloro-
C3H5Cl 1-chloro-1-propene(Z)
C3H5Cl 1-chloro-1-propene(E)
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
Zn(CH3)2 dimethyl zinc
C3H7 Isopropyl radical
C3H7 n-Propyl radical
CH2CHCHCH2 1,3-Butadiene
CHCCH2CH3 1-Butyne
C4H6 Bicyclo[1.1.0]butane
CH3CCCH3 2-Butyne
CH2CCHCH3 1,2-Butadiene
C4H6 Cyclobutene
C4H6 1-Methylcyclopropene
C4H6 Methylenecyclopropane
C5H5 cyclopentadienyl radical
     C5H5- cylopentadienyl anion
C6H4 Benzyne
C6H4 (Z)-Hexa-1,5-diyne-3-ene
C6H4 (E)-Hexa-1,5-diyne-3-ene
CH3CH2NH2 Ethylamine
CH3NHCH3 Dimethylamine
CH3NNCH3 DimethylDiazineE
CH3NNCH3 DimethylDiazineZ
   CH6N3+ guanidinium
C4H5N Pyrrole
C4H5N (E)-2-Butenenitrile
C4H5N (Z)-2-Butenenitrile
C4H5N Cyclopropanecarbonitrile
C4H5N 3H-pyrrole
C4H5N 2H-pyrrole
C4H4N2 Succinonitrile
C4H4N2 Pyridazine
C4H4N2 1,3-Diazine
C4H4N2 Pyrazine
C2H4N4 1H-Tetrazole, 5-methyl-
C2H4N4 1H-Tetrazole, 1-methyl-
C2H4N4 2H-Tetrazole, 2-methyl-
C6N4 Tetracyanoethylene    C6N4- tetracyanoethylene anion
CH3COCH3 Acetone    CH3COCH3- acetone anion
C3H6O Propylene oxide
C3H6O 2-Propen-1-ol
CH3CH2CHO Propanal
C3H6O Oxetane
C2H6O2 1,2-Ethanediol
CH3OOCH3 dimethylperoxide
CH2CHCONH2 Acrylamide
CH3OCH2CN Methoxyacetonitrile
H2NCH2COOH Glycine
C4H4O2 2-Oxetanone, 4-methylene-
C2H4CO3 Ethylene carbonate
C2H4N2O2 Oxalamide
C4F6 perfluorobutadiene
C3H6S Thietane
C3H6S Thiirane, methyl-
CH3CSCH3 Thioacetone
CH3SOCH3 Dimethyl sulfoxide
CH5N3S Hydrazinecarbothioamide
CH2SHCH2SH 1,2-Ethanedithiol
CH3SSCH3 Disulfide, dimethyl
C3H4O2S 2H-Thiete-1,1-dioxide
C2H4N2S2 Ethanedithioamide
C3H4S3 1,3-Dithiolane-2-thione
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
C3H5ClO Oxirane, (chloromethyl)-
CH3CHBrCH3 i-propyl bromide
CH3CH2CH2Br n-propyl bromide
C3H8 Propane
CH3CHCHCH2 methylallyl radical
C5H6 1-Buten-3-yne, 2-methyl-
C5H6 1,3-Cyclopentadiene
C5H6 3-Penten-1-yne, (Z)-
C5H6 3-Penten-1-yne, (E)-
C5H6 Bicyclo[2.1.0]pent-2-ene
C5H6 Cyclopropylacetylene
C6H5 phenyl    C6H5- phenyl anion
C3H7N Cyclopropylamine
C3H6N2 3-Aminopropionitrile
C5H5N Pyridine
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile
HOCH2CH2NH2 monoethanolamine
CH2CHOCHCH2 Vinyl ether
C4H6O Cyclobutanone
C4H6O Furan, 2,3-dihydro-
C4H6O Furan, 2,5-dihydro-
CHOCHCHCH3 2-Butenal
C4H6O cis-2-butenal
CH3CH2COOH Propanoic Acid
CH3COOCH3 methyl acetate
HCOOC2H5 Ethyl formate
C2H6N2O Urea, methyl-
C3H6O2 1,3-Dioxolane
C4H5NO Isoxazole, 5-methyl-
C4H5NO 3-Methylisoxazole
C2H5NO3 Nitric acid, ethyl ester
C5H4O2 4-Cyclopentene-1,3-dione
C5H4O2 furfural
C3F8 perfluoropropane
SiH2(CH3)2 dimethylsilane
CH2CHSCHCH2 Divinyl sulfide
C4H6S Thiophene, 2,3-dihydro-
C4H6S Thiophene, 2,5-dihydro-
C2H6O2S Dimethyl sulfone
C4H5NS 4-Methylthiazole
CH3SSSCH3 dimethyl trisulfide
CH3CHClCH3 Propane, 2-chloro-
CH2ClCH2CH3 Propane, 1-chloro-
C3H5ClO2 Carbonochloridic acid, ethyl ester
CH2ClCHClCH3 Propane, 1,2-dichloro-
CH3CCl2CH3 Propane, 2,2-dichloro-
C3H5Cl3 Propane, 1,2,3-trichloro-
Fe(CO)5 Iron pentacarbonyl
CH2CHCH2CH3 1-Butene
CH2C(CH3)CH3 1-Propene, 2-methyl-
C4H8 cyclobutane
CH3CHCHCH3 2-Butene, (Z)-
CH3CHCHCH3 2-Butene, (E)-
C5H7 cyclopentenyl radical
C5H7 1,3-pentadienyl radical
C6H6 Benzene
C6H6 Fulvene
C6H6 Hexa-1,5-diene-3-yne
C6H6 2,4-Hexadiyne
C6H6 Trimethylenecycopropane
C6H6 1,2,4,5-Hexatetraene
C2H8N2 Ethylenediamine
CH3NHNHCH3 dimethyl hydrazine
CH3CH(CH3)CN Propanenitrile, 2-methyl-
CH3CH2CH2CN Butanenitrile
C4H6N2 1H-Imidazole, 2-methyl-
CH3CHOHCH3 Isopropyl alcohol
C3H7OH 1-Propanol
CH3OC2H5 Ethane, methoxy-
H2OCH3OCH3 water dimethylether dimer
C3H7NO dimethylformamide
C3H7NO Propanamide
C5H6O 2-methylfuran
C5H6O 3-Methylfuran
C4H6O2 2-Propenoic acid, methyl ester
C4H6O2 γ–Butyrolactone
C4H6O2 Crotonic Acid
C4H6O2 2,3-Butanedione
C3H6O3 1,3,5-Trioxane
C2H6N2O2 Dimethylnitroamine
C2H6N2O2 (E)-Azodioxymethane
C6H5O phenoxy radical
C5H5NO 3-Pyridinol
C5H5NO 2-Pyridinol
C5H5NO 4-Pyridinol
C5H5NO 3(2H)-Pyridinone
C5H5NO 3(6H)-Pyridinone
C5H5NO 3(4H)-Pyridinone
C5H5NO 2(5H)-Pyridinone
C5H5NO 2(3H)-Pyridinone
C5H5NO 4(3H)-Pryidinone
C5H5NO 4(1H)-Pryidinone
C5H5NO 2(1H)-Pyridinone
C6H4O2 parabenzoquinone
C4H4N2O2 Uracil
C6H5F Fluorobenzene
C6H4F2 orthodifluorobenzene
C6H4F2 metadifluorobenzene
C6H4F2 1,4-difluorobenzene
C6H3F3 Benzene trifluoride 123
C6F6 hexafluorobenzene
CH3CHSHCH3 2-Propanethiol
C3H7SH 1-Propanethiol
CH3SCH2CH3 Ethane, (methylthio)-
C5H6S Thiophene, 2-methyl-
C5H6S Thiophene, 3-methyl-
C4H6OS Dihydro-3-(2H)-thiophenone
C4H6OS Dihydro-2-(3H)-thiophenone
C4H6OS Vinyl sulfoxide
C4H6OS 4,5-dihydrothiophene-3-ol
C4H6OS 2,5-dihydrothiophene-3-ol
C4H6OS 4,5-dihydrothiophene-2-ol
C4H6OS 2,3-dihydrothiophene-2-ol
CH6N4S Carbonothioic dihydrazide
C2H6O3S Sulfurous acid, dimethyl ester
C3H6S3 Carbonotrithioic acid, dimethyl ester
CH2CHCHClCH3 1-Butene, 3-chloro-
CH2ClCHCHCH3 2-Butene, 1-chloro-
CH2CHCH2CH2Cl 1-Butene, 4-chloro-
CH2CClCH2CH3 1-Butene, 2-chloro-
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)-
CH3CClCHCH3 2-Butene, 2-chloro-, (E)-
CHClCHCH2CH3 (Z)-1-Chloro-1-butene
CHClCHCH2CH3 (E)-1-Chloro-1-butene
C6H5Cl chlorobenzene
C6H5Br bromobenzene
C(CH3)3 Tert-butyl radical
CH3CHCH2CH3 2-Butyl radical
CH2CH(CH3)2 Isobutyl radical
C5H8 1,3-Butadiene, 2-methyl-
C5H8 Cyclopentene
C5H8 Spiropentane
C5H8 Bicyclo[2.1.0]pentane
C5H8 1,4-Pentadiene
C5H8 1,2-Pentadiene
C5H8 2,3-Pentadiene
C5H8 1,2-Butadiene, 3-methyl-
C5H8 1-pentyne
C5H8 Ethenylcyclopropane
C5H8 Cyclobutane, methylene-
C5H8 1,3-Pentadiene, (Z)-
C5H8 1,3-Pentadiene, (E)-
CH3CH(NH2)CH3 2-Propanamine
N(CH3)3 Trimethylamine
NH2CH2CH2CH3 1-Propanamine
C5H7N 1H-Pyrrole, 1-methyl-
C5H7N Cyclobutanecarbonitrile
C5H7N (E)-3-Pentenenitrile
C5H7N (Z)-2-Pentenenitrile
C5H7N (E)-2-Pentenenitrile
C6H5CN phenyl cyanide
C5H4N4 purine
CHOCH(CH3)CH3 Propanal, 2-methyl-
CH3COCH2CH3 2-Butanone
C2H3OC2H5 Ethene, ethoxy-
C4H8O Furan, tetrahydro-
CH2C(CH3)OCH3 1-Propene, 2-methoxy-
CHOCH2CH2CH3 Butanal
C4H8O Cyclobutanol
C3H8O2 Propylene glycol
C3H8O2 Methane, dimethoxy-
C3H8O2 1,3-Propanediol
C3H8O2 Hydroperoxide, 1-methylethyl
C4H7NO Methacrylamide
C4H7NO 2-Pyrrolidinone
C4H7NO Oxazole, 4,5-dihydro-2-methyl-
C4H7NO Ethoxyacetonitrile
HCONH2CN2H4 formamide aminomethanimine dimer
NH2COOC2H5 Urethane
CH3CH(NH2)COOH Alanine
NH2CH2CH2COOH β–alanine
CH3NHCH2COOH Sarcosine
CH3CH(CH3)ONO Iso-propyl nitrite
C3H7ONO Propyl nitrite
C6H5OH phenol
C6H6O 2,5-Cyclohexadienone
C6H6O 2,4-Cyclohexadienone
Al(CH3)3 trimethyl aluminum
C4H8S Thiophene, tetrahydro-
C3H8S2 1,3-Propanedithiol
As(CH3)3 trimethyl arsine
CH3CH(CH3)CH3 Isobutane
CH3CH2CH2CH3 Butane
C6H8 1,3-Cyclohexadiene
C6H8 1,4-Cyclohexadiene
C6H8 Bicyclo[3.1.0]hex-2-ene
C6H8 1,3,5-Hexatriene, (E)-
C6H8 Bicyclo[2.1.1]hex-2-ene
C6H8 3-Methylenecyclopentene
C6H8 1,3,5-Hexatriene, (Z)-
C6H8 Bicyclo[2.2.0]hex-1(4)-ene
C6H8 cis-2,3,4-Hexatriene
C6H8 trans-2,3,4-Hexatriene
C6H5CH2 benzyl radical
C7H7 cycloheptatrienyl radical C7H7+ cycloheptatrienyl cation
C8H6 Pentalene
C6H5CCH phenylacetylene
C8H6 benzocyclobutadiene
C8H6 Calicene
C6H7N 2-Methylpyridine
C4H9N Pyrrolidine
C4H9N Cyclobutylamine
C6H5NH2 aniline
C5H8O 2H-Pyran, 3,4-dihydro-
C5H8O Cyclopentanone
C5H8O Methyl cyclopropyl ketone
C5H8O Furan, 2,3-dihydro-5-methyl-
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl-
C4H8O2 1,4-Dioxane
C4H8O2 Ethyl acetate
C4H8O2 1,3-Dioxolane, 2-methyl-
C4H8O2 1,3-Dioxane
N(CH3)2CONH2 Urea, N,N-dimethyl-
NH2CONHC2H5 Urea, ethyl-
C4H8O2 Ethene, 1,1-dimethoxy-
C3H8O3 1,2,3-Propanetriol
HO2CCHNH2CH2OH Serine
C6H5CHO benzaldehyde
C6H5NO2 Nitrobenzene
SiH(CH3)3 trimethylsilane
C4H8OS s-Ethyl thioacetate
C3H8O2S (Methylsulphonyl)ethane
CH3CHClCH2CH3 Butane, 2-chloro-
CH2ClCH2CH2CH3 Butane, 1-chloro-
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl-
C4H8Cl2 1,4-Dichlorobutane
C4H8Cl2 Butane, 1,2-dichloro-
C4H8Cl2 Butane, 1,3-dichloro-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)-
CH2CHCH2CH2CH3 1-pentene
C5H10 Cyclopentane
C5H10 2-Butene, 2-methyl-
C5H10 1-Butene, 2-methyl-
C5H10 2-Pentene, (Z)-
C5H10 2-Pentene, (E)-
C5H10 Cyclopropane, 1,1-dimethyl-
C6H5CH3 toluene
C7H8 Norbornadiene
C3H10N2 1,2-Diaminopropane
C5H9N Pentanenitrile
C5H9N Propanenitrile, 2,2-dimethyl-
C5H9N 1,2,3,6-Tetrahydropyridine
C5H9N Butanenitrile, 2-methyl-
C4H10O Ethoxy ethane
C4H10O 1-Butanol
C4H10O Ethanol, 1,1-dimethyl-
C4H10O 1-Propanol, 2-methyl-
C4H10O Methyl propyl ether
C4H10O Propane, 2-methoxy-
C4H10O 2-Butanol, (.+/-.)-
C4H9NO Butanamide
C4H9NO Propanamide, 2-methyl-
C5H8O2 Acetylacetone
C6H5COOH benzoic acid
C(CH3)3SH 2-Propanethiol, 2-methyl-
C2H5SC2H5 Diethyl sulfide
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl-
CH3CH(SH)CH2CH3 2-Butanethiol
CH3C(SCH3)HCH3 Propane, 2-(methylthio)-
C4H9ClO 1-Chloro-2-ethoxyethane
C5H11 2-Methylbut-2-yl radical
C6H10 cyclohexene
C6H10 Bicyclo[3.1.0]hexane
C6H10 1,5-Hexadiene
C6H10 1-Hexyne
C6H10 Cyclopentene, 1-methyl-
C6H10 2-Hexyne
C6H10 1-Butyne, 3,3-dimethyl-
C6H10 3-Hexyne
C6H10 Cyclopentene, 3-methyl-
C6H10 Cyclopentene, 4-methyl-
C6H10 2,4-Hexadiene, (E,Z)-
C6H10 2,4-Hexadiene, (E,E)-
C6H10 2,4-Hexadiene, (Z,Z)-
C6H10 1,4-Hexadiene, (Z)-
C6H10 1,4-Hexadiene, (E)-
C6H10 1,3-Hexadiene, (Z)-
C6H10 1,3-Hexadiene, (E)-
C6H5CHCH2 Styrene
C8H8 cubane
C8H8 cyclooctatetraene
C(CH3)3NH2 2-Propanamine, 2-methyl-
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl-
C(NH2)H2CH2CH2CH3 1-Butanamine
CH3C(NH2)HCH2CH3 2-Butanamine
C8H7N Indole
C5H10O 3-Pentanone
C5H10O Cyclopentanol
C5H10O 2-Pentanone
C5H10O Pentanal
C5H10O 2H-Pyran, tetrahydro-
C5H10O 2-Butanone, 3-methyl-
C5H10O Oxetane, 3,3-dimethyl-
C4H10O2 1,3-Butanediol
C4H10O2 1,4-Butanediol
C4H10O2 Ethane, 1,2-dimethoxy-
C4H10O2 1,1-Dimethoxyethane
C6H5OCH3 Anisole
C5H10S 2H-Thiopyran, tetrahydro-
C5H10S Cyclopentanethiol
C5H10S Thiophene, tetrahydro-2-methyl-
C5H10S Thiophene, tetrahydro-3-methyl-
C5H10S 3-Ethylthio-1-propene
C4H10OS Diethyl sulfoxide
C4H10S2 1,4-Butanedithiol
C5H12 Butane, 2-methyl-
C5H12 Pentane
C5H12 Propane, 2,2-dimethyl-
C9H8 Indene
C9H8 sprio[4.4]nona-1,3,6,8-tetraene
   NC4H12+ tetramethyl ammonium cation
C5H11N Piperidine
C5H11N Cyclopentanamine
C4H11NO Diethylhydroxylamine
C6H10O cyclohexanone
CH3COC6H5 acetophenone
Si(CH3)4 tetramethylsilane
C5H11Cl Pentane, 1-chloro-
C6H12 Cyclopentane, methyl-
C6H12 Cyclohexane
C6H12 1-Butene, 2,3-dimethyl-
C6H12 2-Butene, 2,3-dimethyl-
C6H12 1-Hexene
C6H12 2-Pentene, 3-methyl-, (E)-
C6H12 Pentane, 3-methylene-
C6H12 2-Pentene, 3-methyl-, (Z)-
C6H12 cis-1,3-dimethylcyclobutane
C6H12 trans-1,3-dimethylcyclobutane
C6H12 2-Hexene, (E)-
C6H12 Cyclobutane, ethyl-
C6H12 2-Hexene, (Z)-
C6H12 e-Hex-3-ene
C6H12 cis-1,2-dimethylcyclobutane
C6H12 trans-1,2-dimethylcyclobutane
C4H6(CH3)2 dimethylcyclobutane
C6H5CH2CH3 Ethylbenzene
CH3C6H4CH3 paraxylene
CH3C6H4CH3 meta-xylene
C10H8 naphthalene
C10H8 Azulene
C4H12N2 2-Methyl-1,2-propanediamine
C4H12N2 1,2-Butanediamine
C5H12O 1-Pentanol
C5H12O 1-Butanol, 3-methyl-
C5H12O 1-Butanol, 2-methyl-
C5H12O 3-Pentanol
C5H12O 2-Butanol, 3-methyl-
C5H12O Butane, 1-methoxy-
C5H12O Propane, 1-ethoxy-
C5H12O Propane, 2-methoxy-2-methyl-
C5H12O 2-Pentanol
C5H12S 1-Pentanethiol
C5H12S 1-Butanethiol, 3-methyl-
C5H12S Butane, 1-(methylthio)-
C5H12S 1-Propanethiol, 2,2-dimethyl-
C5H12S 2-Butanethiol, 2-methyl-
C5H12S 1-Butanethiol, 2-methyl-
C5H12S 2-Butanethiol, 3-methyl-
C5H12S Ethyl propyl sulfide
C5H12S Propane, 2-(ethylthio)-
C5H12S Propane, 2-methyl-2-(methylthio)-
C7H12 Norbornane
C6H14 Butane, 2,2-dimethyl-
C6H14 Butane, 2,3-dimethyl-
C6H14 Pentane, 3-methyl-
C6H14 Pentane, 2-methyl-
C6H14 Hexane
C12H8 Acenaphthylene
C12H8 biphenylene
C6H13N cyclohexanamine
C6H13N 2-Methylpiperidine
C6H12N2 Triethylenediamine
C6H12O2 Hexanoic acid
C6H12O2 Methyl pivalate
C7H14 cycloheptane
C9H12 n-propyl benzene
C3H7OC3H7 di-n-propyl ether
Fe(C5H5)2 ferrocene
C8H14 Bicyclo[2.2.2]octane
C12H10 biphenyl
C12H10 Heptalene
C6H15N triethylamine
C7H16 heptane
C7H16 3-methylhexane
C7H16 2-methylhexane
C8H16 cyclooctane
C14H10 Phenanthrene
C14H10 Anthracene
C12H10N2 azobenzene
C6H12O6 Inositol
C8H18 Octane
(CH3)3CC(CH3)3 tetramethylbutane
C10H16 adamantane
C16H10 Pyrene
C24H12 Coronene